[2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] 4-propan-2-yloxybenzoate

Systemtic Name: [2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] 4-propan-2-yloxybenzoate Openeye Name: [2-(1-adamantylmethylamino)-2-oxo-ethyl] 4-isopropoxybenzoate CAS Name: 4-propan-2-yloxybenzoic acid [2-(1-adamantylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylmethylamino)-2-oxoethyl] 4-propan-2-yloxybenzoate Traditional Name: 4-isopropoxybenzoic acid [2-(1-adamantylmethylamino)-2-keto-ethyl] ester Formula: C23H31NO4 MolecularWeight: 385.49654

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)C(=O)OCC(=O)NCC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)C(=O)OCC(=O)NCC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C23H31NO4/c1-15(2)28-20-5-3-19(4-6-20)22(26)27-13-21(25)24-14-23-10-16-7-17(11-23)9-18(8-16)12-23/h3-6,15-18H,7-14H2,1-2H3,(H,24,25)